3-amino-3-(3-nitrophenyl)propanamide

C9H11N3O3 — CID 18949390

IUPAC3-amino-3-(3-nitrophenyl)propanamide
SMILESNC(=O)CC(N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O3/c10-8(5-9(11)13)6-2-1-3-7(4-6)12(14)15/h1-4,8H,5,10H2,(H2,11,13)
InChIKeySBEFNSNEOBFAKY-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-3-(3-nitrophenyl)propanamide

3-amino-3-(3-nitrophenyl)propanamide (PubChem CID 18949390) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-amino-3-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3-nitrophenyl)propanamide
PubChem CID18949390
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name3-amino-3-(3-nitrophenyl)propanamide
SMILESNC(=O)CC(N)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O3/c10-8(5-9(11)13)6-2-1-3-7(4-6)12(14)15/h1-4,8H,5,10H2,(H2,11,13)
InChIKeySBEFNSNEOBFAKY-UHFFFAOYSA-N
XLogP0.47
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)butan-1-amine
CID 43200371
(1S)-1-(3-nitrophenyl)but-3-en-1-amine
CID 171217518
(3R)-3-azaniumyl-3-(3-nitrophenyl)propanoate
CID 6924446
(3S)-3-amino-3-(3-nitrophenyl)propanenitrile;hydrochloride
CID 171259803
(1R)-4,4,4-trifluoro-1-(3-nitrophenyl)butan-1-amine
CID 171198017
2-methylsulfonyl-1-(3-nitrophenyl)ethanamine
CID 82359807
(4R)-1,4-dihydroxy-4-(3-nitrophenyl)butan-2-one
CID 102374268
3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
CID 170875972
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
3-(diaminomethylideneamino)-3-(3-nitrophenyl)propanoic acid
CID 132590683
ethyl 5-amino-5-(3-nitrophenyl)pentanoate
CID 82367096
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-nitrophenyl)propanamide?
The IUPAC name of 3-amino-3-(3-nitrophenyl)propanamide (CID 18949390) is 3-amino-3-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-amino-3-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-amino-3-(3-nitrophenyl)propanamide is NC(=O)CC(N)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-3-(3-nitrophenyl)propanamide?
The InChIKey is SBEFNSNEOBFAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-8(5-9(11)13)6-2-1-3-7(4-6)12(14)15/h1-4,8H,5,10H2,(H2,11,13).
What are the key properties of 3-amino-3-(3-nitrophenyl)propanamide?
3-amino-3-(3-nitrophenyl)propanamide has a molecular weight of 209.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-nitrophenyl)propanamide is sourced from PubChem (CID 18949390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).